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MassBank Record: KO002671

DL-2,3-Diaminopropionic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002671
RECORD_TITLE: DL-2,3-Diaminopropionic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D037

CH$NAME: 2,3-Diaminopropionate
CH$NAME: 2,3-Diaminopropanoic acid
CH$NAME: 2,3-Diaminopropanoate
CH$NAME: 2,3-Diaminopropionic acid
CH$NAME: DL-2,3-Diaminopropionic acid
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C3H8N2O2
CH$EXACT_MASS: 104.05858
CH$SMILES: NCC(N)C(O)=O
CH$IUPAC: InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)
CH$LINK: CHEBI 18383
CH$LINK: KEGG C06393
CH$LINK: PUBCHEM SID:8629
CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 105
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-9000000000-4fa9d4b0030c41557f3d
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  41.900 74257.5 999
//

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